1-butyl-3-(dodecoxymethyl)-2-methyl-benzimidazol-3-ium

Systemtic Name: 1-butyl-3-(dodecoxymethyl)-2-methyl-benzimidazol-3-ium Openeye Name: 1-butyl-3-(dodecoxymethyl)-2-methyl-benzimidazol-3-ium CAS Name: 1-butyl-3-(dodecoxymethyl)-2-methylbenzimidazol-3-ium IUPAC Name: 1-butyl-3-(dodecoxymethyl)-2-methylbenzimidazol-3-ium Traditional Name: 1-butyl-3-(lauryloxymethyl)-2-methyl-benzimidazol-3-ium Formula: C25H43N2O+ MolecularWeight: 387.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)CCCC)C

InChI

InChI=1S/C25H43N2O/c1-4-6-8-9-10-11-12-13-14-17-21-28-22-27-23(3)26(20-7-5-2)24-18-15-16-19-25(24)27/h15-16,18-19H,4-14,17,20-22H2,1-3H3/q+1